SCHEMBL21592809

SCHEMBL21592809

Cc1cc(-c2cnc3[nH]cc(-c4ccc(OCC(=O)N(C)C)cc4)c3c2)cc(C)c1N1CCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 8/20 0.57
MAP3K11 Q16584 4/20 0.51
TNIK Q9UKE5 7/20 0.49
IL2 P60568 3/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21592939 0.92 MAP4K1 (0.56) MAP4K1MAP3K11TNIKIL2
SCHEMBL21592695 0.92 MAP4K1 (0.56) MAP4K1MAP3K11TNIKIL2
SCHEMBL28906168 0.91 MAP4K1 (0.56) MAP4K1MAP3K11TNIKIL2
SCHEMBL21592507 0.89 MAP4K1 (0.61) MAP4K1MAP3K11TNIKIL2
SCHEMBL21592566 0.85 MAP4K1 (0.65) MAP4K1MAP3K11TNIKIL2
SCHEMBL21592984 0.85 MAP4K1 (0.68) MAP4K1MAP3K11TNIKIL2
SCHEMBL21592832 0.83 MAP3K11 (0.54) MAP4K1MAP3K11TNIKIL2
SCHEMBL21592852 0.83 MAP4K1 (0.60) MAP4K1MAP3K11TNIKIL2
SCHEMBL28499799 0.83 SGK1 (0.63) MAP4K1MAP3K11TNIKIL2
SCHEMBL21592569 0.82 MAP4K1 (0.62) MAP4K1MAP3K11TNIKIL2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed